(4,5-diamino-2-methylpyrazol-3-yl)methanol

C5H10N4O — CID 23298689

IUPAC(4,5-diamino-2-methylpyrazol-3-yl)methanol
SMILESCn1nc(N)c(N)c1CO
InChIInChI=1S/C5H10N4O/c1-9-3(2-10)4(6)5(7)8-9/h10H,2,6H2,1H3,(H2,7,8)
InChIKeyNPUOBJGKZIBXIX-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.92
Rot. Bonds1

About (4,5-diamino-2-methylpyrazol-3-yl)methanol

(4,5-diamino-2-methylpyrazol-3-yl)methanol (PubChem CID 23298689) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is (4,5-diamino-2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4,5-diamino-2-methylpyrazol-3-yl)methanol
PubChem CID23298689
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name(4,5-diamino-2-methylpyrazol-3-yl)methanol
SMILESCn1nc(N)c(N)c1CO
InChIInChI=1S/C5H10N4O/c1-9-3(2-10)4(6)5(7)8-9/h10H,2,6H2,1H3,(H2,7,8)
InChIKeyNPUOBJGKZIBXIX-UHFFFAOYSA-N
XLogP-0.92
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazole-5-methanol, 3-amino-1-methyl-
CID 60136547
(4,5-diamino-1-isopropyl-1H-pyrazol-3-yl)methanol
CID 9815341
4,5-diamino-1-methyl-1H-pyrazole-3-methanol
CID 10130017
4,5-diamino-1-ethyl-1H-pyrazole-3-methanol
CID 10154169
[4-Amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol
CID 11819275
(3,4-Diamino-1-isopropyl-1H-pyrazol-5-yl)methanol
CID 23298683
(4,5-Diamino-2-propylpyrazol-3-yl)methanol
CID 23298688
(3,4-Diamino-1-ethyl-1H-pyrazol-5-yl)methanol
CID 23298701
(4,5-Diamino-1-tert-butylpyrazol-3-yl)methanol
CID 23496367
1-(4,5-Diamino-1-methylpyrazol-3-yl)ethanol
CID 70127840
Diamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol
CID 150084667
3-(Hydroperoxymethyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 151265723

Frequently Asked Questions

What is the IUPAC name of (4,5-diamino-2-methylpyrazol-3-yl)methanol?
The IUPAC name of (4,5-diamino-2-methylpyrazol-3-yl)methanol (CID 23298689) is (4,5-diamino-2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (4,5-diamino-2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (4,5-diamino-2-methylpyrazol-3-yl)methanol is Cn1nc(N)c(N)c1CO.
What is the InChIKey of (4,5-diamino-2-methylpyrazol-3-yl)methanol?
The InChIKey is NPUOBJGKZIBXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-9-3(2-10)4(6)5(7)8-9/h10H,2,6H2,1H3,(H2,7,8).
What are the key properties of (4,5-diamino-2-methylpyrazol-3-yl)methanol?
(4,5-diamino-2-methylpyrazol-3-yl)methanol has a molecular weight of 142.16 g/mol, XLogP of -0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diamino-2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 23298689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).